2-phenyl-2-[4-(phenylmethyl)piperidin-1-ium-1-yl]indene-1,3-dione

Systemtic Name: 2-phenyl-2-[4-(phenylmethyl)piperidin-1-ium-1-yl]indene-1,3-dione Openeye Name: 2-(4-benzylpiperidin-1-ium-1-yl)-2-phenyl-indane-1,3-dione CAS Name: 2-phenyl-2-[4-(phenylmethyl)-1-piperidin-1-iumyl]indene-1,3-dione IUPAC Name: 2-(4-benzylpiperidin-1-ium-1-yl)-2-phenylindene-1,3-dione Traditional Name: 2-(4-benzylpiperidin-1-ium-1-yl)-2-phenyl-indane-1,3-quinone Formula: C27H26NO2+ MolecularWeight: 396.50084

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1CC2=CC=CC=C2)C3(C(=O)C4=CC=CC=C4C3=O)C5=CC=CC=C5

Isomeric SMILES

C1C[NH+](CCC1CC2=CC=CC=C2)C3(C(=O)C4=CC=CC=C4C3=O)C5=CC=CC=C5

InChI

InChI=1S/C27H25NO2/c29-25-23-13-7-8-14-24(23)26(30)27(25,22-11-5-2-6-12-22)28-17-15-21(16-18-28)19-20-9-3-1-4-10-20/h1-14,21H,15-19H2/p+1